3-(2' 5'-DIMETHOXYBENZOYL)PROPIONIC ACI&

The CAS register number of Benzenebutanoic acid,2,5-dimethoxy-g-oxo- is 1084-74-8. It also can be called as 3-(2,5-Dimethoxybenzoyl)propionic acid and the systematic name about this chemical is 4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid. The molecular formula about this chemical is C₁₂H₁₄O₅ and the molecular weight is 238.238. It belongs to the following product categories which include C₁₁ to C₁₂; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about Benzenebutanoic acid,2,5-dimethoxy-g-oxo- are: (1)ACD/LogP: 1.73 ; (2)ACD/BCF (pH 5.5): 1.05; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 61.83 Å²; (10)Index of Refraction: 1.527; (11)Molar Refractivity: 60.46 cm³; (12)Molar Volume: 196.6 cm³; (13)Polarizability: 23.97x10^-24cm³; (14)Surface Tension: 44.2 dyne/cm; (15)Density: 1.211 g/cm³; (16)Flash Point: 166 °C; (17)Enthalpy of Vaporization: 72.14 kJ/mol; (18)Boiling Point: 429.1 °C at 760 mmHg; (19)Vapour Pressure: 3.98E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,4-dimethoxy-benzene. This reaction will need solvent of 1,2-dichloro-ethane. The yield is about 60%.

Uses of Benzenebutanoic acid,2,5-dimethoxy-g-oxo-: it can be used to produce 4-(2,5-dimethoxy-phenyl)-butyric acid. This reaction will need reagents of NH₂NH₂, KOH and solvent of H₂O. The reaction time is 7 hours and the yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)c1cc(OC)ccc1OC
(2)InChI: InChI=1/C12H14O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
(3)InChIKey: HSFBDVDTGCGJBZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H14O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
(5)Std. InChIKey: HSFBDVDTGCGJBZ-UHFFFAOYSA-N